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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50391696'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50391696
PNG
(CHEMBL2146813)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r|
Show InChI InChI=1S/C38H48ClN5O2/c39-32-15-11-31(12-16-32)27-37-36-28-40-20-19-35(36)38(45)44(41-37)29-33-10-7-25-43(33)24-6-3-9-30-13-17-34(18-14-30)46-26-8-23-42-21-4-1-2-5-22-42/h11-20,28,33H,1-10,21-27,29H2/t33-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.562n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...


Bioorg Med Chem 20: 6097-108 (2012)


Article DOI: 10.1016/j.bmc.2012.08.032
BindingDB Entry DOI: 10.7270/Q2NG4RQC
More data for this
Ligand-Target Pair